(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one

C12H22O2Si — CID 10775648

IUPAC(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C=CC(=O)C1
InChIInChI=1S/C12H22O2Si/c1-12(2,3)15(4,5)14-9-10-6-7-11(13)8-10/h6-7,10H,8-9H2,1-5H3/t10-/m1/s1
InChIKeyXAJVKIPCLNBBAG-SNVBAGLBSA-N
MW226.39 g/mol
LogP3.15
Rot. Bonds3

About (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one

(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one (PubChem CID 10775648) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one
PubChem CID10775648
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C=CC(=O)C1
InChIInChI=1S/C12H22O2Si/c1-12(2,3)15(4,5)14-9-10-6-7-11(13)8-10/h6-7,10H,8-9H2,1-5H3/t10-/m1/s1
InChIKeyXAJVKIPCLNBBAG-SNVBAGLBSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one?
The IUPAC name of (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one (CID 10775648) is (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one.
What is the SMILES notation for (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one?
The canonical SMILES for (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one is CC(C)(C)[Si](C)(C)OC[C@@H]1C=CC(=O)C1.
What is the InChIKey of (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one?
The InChIKey is XAJVKIPCLNBBAG-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-12(2,3)15(4,5)14-9-10-6-7-11(13)8-10/h6-7,10H,8-9H2,1-5H3/t10-/m1/s1.
What are the key properties of (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one?
(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one has a molecular weight of 226.39 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one is sourced from PubChem (CID 10775648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).